(6S,9S,15S,18S,21S,22R)-22,24,24-trimethyl-6,9,15,18-tetrakis(phenylmethyl)-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

Systemtic Name: (6S,9S,15S,18S,21S,22R)-22,24,24-trimethyl-6,9,15,18-tetrakis(phenylmethyl)-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Openeye Name: (6S,9S,15S,18S,21S,22R)-6,9,15,18-tetrabenzyl-22,24,24-trimethyl-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone CAS Name: (6S,9S,15S,18S,21S,22R)-22,24,24-trimethyl-6,9,15,18-tetrakis(phenylmethyl)-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone IUPAC Name: (6S,9S,15S,18S,21S,22R)-6,9,15,18-tetrabenzyl-22,24,24-trimethyl-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Traditional Name: (6S,9S,15S,18S,21S,22R)-6,9,15,18-tetrabenzyl-22,24,24-trimethyl-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Formula: C47H53N7O8 MolecularWeight: 843.96582

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N2C(O1)(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C[C@@H]1[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2C(O1)(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C47H53N7O8/c1-30-41-46(61)53-38(27-34-22-14-7-15-23-34)45(60)52-35(24-31-16-8-4-9-17-31)42(57)48-28-39(55)50-37(26-33-20-12-6-13-21-33)44(59)51-36(25-32-18-10-5-11-19-32)43(58)49-29-40(56)54(41)47(2,3)62-30/h4-23,30,35-38,41H,24-29H2,1-3H3,(H,48,57)(H,49,58)(H,50,55)(H,51,59)(H,52,60)(H,53,61)/t30-,35+,36+,37+,38+,41+/m1/s1